N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen

C8H15N — CID 142041392

IUPACN-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen
SMILESC=N/C(C)=C\C(C)=C/C.[H][H]
InChIInChI=1S/C8H13N.H2/c1-5-7(2)6-8(3)9-4;/h5-6H,4H2,1-3H3;1H/b7-5-,8-6-;
InChIKeyQEWQDRGSTOMETR-OVDGFJEXSA-N
MW125.21 g/mol
LogP2.80
Rot. Bonds2

About N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen

N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen (PubChem CID 142041392) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen.

Molecular Properties

Compound NameN-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen
PubChem CID142041392
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen
SMILESC=N/C(C)=C\C(C)=C/C.[H][H]
InChIInChI=1S/C8H13N.H2/c1-5-7(2)6-8(3)9-4;/h5-6H,4H2,1-3H3;1H/b7-5-,8-6-;
InChIKeyQEWQDRGSTOMETR-OVDGFJEXSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(2Z,4E,6E)-6-fluoro-3-methyl-4-prop-1-en-2-ylocta-2,4,6-trien-2-yl]methanimine
CID 134298486
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143420707
N-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143599195

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen?
The IUPAC name of N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen (CID 142041392) is N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen.
What is the SMILES notation for N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen?
The canonical SMILES for N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen is C=N/C(C)=C\C(C)=C/C.[H][H].
What is the InChIKey of N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen?
The InChIKey is QEWQDRGSTOMETR-OVDGFJEXSA-N. The full InChI is InChI=1S/C8H13N.H2/c1-5-7(2)6-8(3)9-4;/h5-6H,4H2,1-3H3;1H/b7-5-,8-6-;.
What are the key properties of N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen?
N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen has a molecular weight of 125.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimine;molecular hydrogen is sourced from PubChem (CID 142041392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).